1-sulfamoylcyclopropane-1-carboxylic acid

C4H7NO4S — CID 22149150

IUPAC1-sulfamoylcyclopropane-1-carboxylic acid
SMILESNS(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C4H7NO4S/c5-10(8,9)4(1-2-4)3(6)7/h1-2H2,(H,6,7)(H2,5,8,9)
InChIKeyXFKCKJYYHGZGFQ-UHFFFAOYSA-N
MW165.17 g/mol
LogP-1.11
Rot. Bonds2

About 1-sulfamoylcyclopropane-1-carboxylic acid

1-sulfamoylcyclopropane-1-carboxylic acid (PubChem CID 22149150) has the molecular formula C4H7NO4S and a molecular weight of 165.17 g/mol. Its IUPAC name is 1-sulfamoylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-sulfamoylcyclopropane-1-carboxylic acid
PubChem CID22149150
Molecular FormulaC4H7NO4S
Molecular Weight165.17 g/mol
Exact Mass165.01
IUPAC Name1-sulfamoylcyclopropane-1-carboxylic acid
SMILESNS(=O)(=O)C1(C(=O)O)CC1
InChIInChI=1S/C4H7NO4S/c5-10(8,9)4(1-2-4)3(6)7/h1-2H2,(H,6,7)(H2,5,8,9)
InChIKeyXFKCKJYYHGZGFQ-UHFFFAOYSA-N
XLogP-1.11
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-sulfamoylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-sulfamoylcyclopropane-1-carboxylic acid (CID 22149150) is 1-sulfamoylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-sulfamoylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-sulfamoylcyclopropane-1-carboxylic acid is NS(=O)(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-sulfamoylcyclopropane-1-carboxylic acid?
The InChIKey is XFKCKJYYHGZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4S/c5-10(8,9)4(1-2-4)3(6)7/h1-2H2,(H,6,7)(H2,5,8,9).
What are the key properties of 1-sulfamoylcyclopropane-1-carboxylic acid?
1-sulfamoylcyclopropane-1-carboxylic acid has a molecular weight of 165.17 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfamoylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 22149150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).